CID 162345665

Ns00133309

Structural Information

Molecular Formula
C13H9Cl2NO2
SMILES
C1=CC(=C(C(=C1)Cl)NC2=C(C=CC(=C2)O)C=O)Cl
InChI
InChI=1S/C13H9Cl2NO2/c14-10-2-1-3-11(15)13(10)16-12-6-9(18)5-4-8(12)7-17/h1-7,16,18H
InChIKey
ZEOHXMSHTXENAX-UHFFFAOYSA-N
Compound name
2-(2,6-dichloroanilino)-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.00104 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.008316 157.2
[M+Na]+ 303.990258 168.1
[M-H]- 279.993764 162.8
[M+NH4]+ 299.034863 174.1
[M+K]+ 319.964198 161.0
[M+H-H2O]+ 263.998300 152.1
[M+HCOO]- 325.999241 172.4
[M+CH3COO]- 340.014891 197.5
[M+Na-2H]- 301.975706 161.6
[M]+ 281.00049142 160.7
[M]- 281.00158858 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.